CID 3049966

Brn 0527893

Structural Information

Molecular Formula
C8H10N4O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(CS2)N
InChI
InChI=1S/C8H10N4O2S/c1-11-6(13)5-7(12(2)8(11)14)15-3-4(9)10-5/h3H2,1-2H3,(H2,9,10)
InChIKey
VLJKUVOVWRMBTM-UHFFFAOYSA-N
Compound name
6-amino-1,3-dimethyl-7H-pyrimido[4,5-b][1,4]thiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.05244 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.059716 146.1
[M+Na]+ 249.041658 158.7
[M-H]- 225.045164 147.5
[M+NH4]+ 244.086263 162.3
[M+K]+ 265.015598 154.1
[M+H-H2O]+ 209.049700 139.1
[M+HCOO]- 271.050641 161.3
[M+CH3COO]- 285.066291 191.0
[M+Na-2H]- 247.027106 149.8
[M]+ 226.05189142 148.5
[M]- 226.05298858 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.